N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide

C12H26N4OS — CID 104888829

IUPACN-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCSC(C)C1C
InChIInChI=1S/C12H26N4OS/c1-4-17-8-5-6-14-12(15-13)16-7-9-18-11(3)10(16)2/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyDSBMIHJXOONGTN-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.06
Rot. Bonds5

About N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide

N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide (PubChem CID 104888829) has the molecular formula C12H26N4OS and a molecular weight of 274.43 g/mol. Its IUPAC name is N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide
PubChem CID104888829
Molecular FormulaC12H26N4OS
Molecular Weight274.43 g/mol
Exact Mass274.18
IUPAC NameN-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCSC(C)C1C
InChIInChI=1S/C12H26N4OS/c1-4-17-8-5-6-14-12(15-13)16-7-9-18-11(3)10(16)2/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyDSBMIHJXOONGTN-UHFFFAOYSA-N
XLogP1.06
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
CID 104884380
N-amino-N'-(3-ethoxypropyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide
CID 104887886
N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887094
N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
CID 104884316
N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
CID 104887655
N-amino-N'-(3-ethoxypropyl)-3-propylpyrrolidine-1-carboximidamide
CID 104888291
N-amino-N'-(3-ethoxypropyl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882583
N-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887395
3-amino-1-(cyclopropylmethyl)-2-(3-ethoxypropyl)-1-propylguanidine
CID 104884628
N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide
CID 116513545
3-amino-2-(3-ethoxypropyl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 104883188
3-amino-2-(3-ethoxypropyl)-1,1-dipropylguanidine
CID 104883379

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide?
The IUPAC name of N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide (CID 104888829) is N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide is CCOCCC/N=C(\NN)N1CCSC(C)C1C.
What is the InChIKey of N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide?
The InChIKey is DSBMIHJXOONGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4OS/c1-4-17-8-5-6-14-12(15-13)16-7-9-18-11(3)10(16)2/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide?
N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide has a molecular weight of 274.43 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 104888829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).